N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide

C15H19N7O — CID 136713256

IUPACN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C15H19N7O/c1-11-10-13(23)19-15(18-11)20-14(16)22-8-6-21(7-9-22)12-4-2-3-5-17-12/h2-5,10H,6-9H2,1H3,(H3,16,18,19,20,23)
InChIKeyQUOBOBIVRSJXJK-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.24
Rot. Bonds2

About N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide

N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 136713256) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID136713256
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C15H19N7O/c1-11-10-13(23)19-15(18-11)20-14(16)22-8-6-21(7-9-22)12-4-2-3-5-17-12/h2-5,10H,6-9H2,1H3,(H3,16,18,19,20,23)
InChIKeyQUOBOBIVRSJXJK-UHFFFAOYSA-N
XLogP0.24
TPSA103.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135875004
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8731458
2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136663273
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]-3-(4-methylphenyl)urea
CID 135771482
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51305041

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 136713256) is N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide is Cc1cc(=O)[nH]c(N=C(N)N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is QUOBOBIVRSJXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-11-10-13(23)19-15(18-11)20-14(16)22-8-6-21(7-9-22)12-4-2-3-5-17-12/h2-5,10H,6-9H2,1H3,(H3,16,18,19,20,23).
What are the key properties of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 313.37 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 136713256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).